Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.3180   -0.4419    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6304   -0.3389   -0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.1501   -0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -0.0722    0.5389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.1117    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    0.1310   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9758    0.2739   -1.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760   -0.0337   -1.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176   -0.9890    0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4709    1.4450    0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697   -0.5773    0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8441   -0.3932    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645   -0.3958   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -1.4125   -0.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645   -1.7845    1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5673   -0.5795    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224    2.2363    0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    1.4499    1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139    1.5208    0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers